4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate
Chemical Structure Depiction of
4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate
4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 4615-0397 |
| Compound Name: | 4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C18 H12 N2 O5 S |
| Smiles: | C(C#CCSc1nc2ccccc2o1)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9023 |
| logD: | 4.9023 |
| logSw: | -5.0283 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.06 |
| InChI Key: | ZFRZNOBNNTUPJQ-UHFFFAOYSA-N |